Results 111 to 120 of about 2,615 (201)

When are Quarnets Sufficient to Reconstruct Semi-directed Phylogenetic Networks? [PDF]

Bull Math Biol
Huber KT, Iersel LV, Jones M, Moulton V, Veenema-Nipius L.   +4 more
europepmc   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

Advanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

Cycle-configuration descriptors: a novel graph-theoretic approach to enhancing molecular inference. [PDF]

J Cheminform
Song B, Zhu J, Azam NA, Haraguchi K, Zhao L, Akutsu T.   +5 more
europepmc   +1 more source

CrossMatAgent: AI‐Assisted Design of Manufacturable Metamaterial Patterns via Multi‐Agent Generative Framework

Advanced Intelligent Discovery, EarlyView.
CrossMatAgent is a multi‐agent framework that combines large language models and diffusion‐based generative AI to automate metamaterial design. By coordinating task‐specific agents—such as describer, architect, and builder—it transforms user‐provided image prompts into high‐fidelity, printable lattice patterns.
Jie Tian, Martin Taylor Sobczak, Dhanush Patil, Jixin Hou, Lin Pang, Arunachalam Ramanathan, Libin Yang, Xianyan Chen, Yuval Golan, Xiaoming Zhai, Hongyue Sun, Kenan Song, Xianqiao Wang   +12 more
wiley   +1 more source

On the optimal layout of (K_p - C_p)ⁿ into grid and certain structures. [PDF]

Sci Rep
Vincy GC, Micheal DR.
europepmc   +1 more source

The Necessity of Dynamic Workflow Managers for Advancing Self‐Driving Labs and Optimizers

Advanced Intelligent Discovery, EarlyView.
We assess the maturity and integration readiness of key methodologies for Materials Acceleration Platforms, highlighting the need for dynamic workflow managers. Demonstrating this, we integrate PerQueue into a color‐mixing robot, showing how flexible orchestration improves coordination and optimization.
Simon K. Steensen, Patrick W. V. Butler, Jesper R. Pedersen, Nis Fisker‐Bødker, Tejs Vegge, Jin Hyun Chang, Ivano E. Castelli   +6 more
wiley   +1 more source

Artificial Intelligence for Bone: Theory, Methods, and Applications

Advanced Intelligent Discovery, EarlyView.
Advances in artificial intelligence (AI) offer the potential to improve bone research. The current review explores the contributions of AI to pathological study, biomarker discovery, drug design, and clinical diagnosis and prognosis of bone diseases. We envision that AI‐driven methodologies will enable identifying novel targets for drugs discovery. The
Dongfeng Yuan, Haicang Zhang, Liping Tong, Di Chen   +3 more
wiley   +1 more source

Spaces of ranked tree-child networks. [PDF]

J Math Biol
Moulton V, Spillner A.
europepmc   +1 more source

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

Algorithms to reconstruct past indels: The deletion-only parsimony problem. [PDF]

PLoS Comput Biol
Moutet J, Rivals E, Pardi F.
europepmc   +1 more source